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Spironolactone EP Impurity H

CAT: 1299-RM-S160908-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-S160908-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
53866-24-3
Synonyms
(2'S,8R,9S,10R,13S,14S) -10,13-dimethyl-1,8,9,10,11,12,13,14,15,16-decahydrospiro[cyclopenta[a]phenanthrene-17,2'-oxiran]-3 (2H) -one
Molecular Formula
C20H26O2
Molecular Weight
298.42
Target Alternative Name
Spironolactone
Product Name Synonym
(2'S,8R,9S,10R,13S,14S) -10,13-dimethyl-1,8,9,10,11,12,13,14,15,16-decahydrospiro[cyclopenta[a]phenanthrene-17,2'-oxiran]-3 (2H) -one

Chemical Information

Spironolactone EP impurity H
CAS Number53866-24-3
PubChem CID129011909
IUPAC Name(8R,9S,10R,13S,14S,17S)-10,13-dimethylspiro[2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxirane]-3-one
Molecular FormulaC20H26O2
Molecular Weight298.4
XLogP2.4
Topological Polar Surface Area29.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count22
Formal Charge0
Complexity617
SMILES
C[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]45CO5)C
InChI
InChI=1S/C20H26O2/c1-18-8-5-14(21)11-13(18)3-4-15-16(18)6-9-19(2)17(15)7-10-20(19)12-22-20/h3-4,11,15-17H,5-10,12H2,1-2H3/t15-,16+,17+,18+,19+,20-/m1/s1
InChIKey
GADUNTRMMINPRO-MPRNQXESSA-N
Chemical Structure
2D Structure
2D structure of Spironolactone EP impurity H
CAS: 53866-24-3
CID: 129011909
Formula: C20H26O2
MW: 298.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight298.4
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass298.193280068
Monoisotopic Mass298.193280068
Topological Polar Surface Area29.6 Ų
Heavy Atom Count22
Formal Charge0
Complexity617
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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